REMARK  Name = BDB043944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.090   0.076   0.892  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1        4.760   0.719   0.772  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1        3.519   0.091   0.483  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        3.111  -1.266   0.226  0.00  0.00    +0.237 C 
ATOM      5  C   LIG    1        1.624  -1.505  -0.123  0.00  0.00    +0.234 C 
ATOM      6  C   LIG    1        0.638  -0.354  -0.022  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -0.762  -0.535  -0.217  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -1.339  -1.909  -0.511  0.00  0.00    +0.039 C 
ATOM      9  C   LIG    1       -2.860  -2.018  -0.485  0.00  0.00    +0.039 C 
ATOM     10  C   LIG    1       -3.489  -0.808  -1.149  0.00  0.00    +0.151 C 
ATOM     11  C   LIG    1       -3.122   0.490  -0.390  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1       -3.844   0.620   0.962  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -1.613   0.602  -0.182  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -1.064   1.871   0.079  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        0.298   2.040   0.299  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.151   0.939   0.251  0.00  0.00    +0.029 A 
ATOM     17  O   LIG    1        1.291  -2.622  -0.498  0.00  0.00    -0.283 OA
ATOM     18  O   LIG    1        3.892  -2.207   0.279  0.00  0.00    -0.283 OA
ATOM     19  C   LIG    1        2.571   1.077   0.477  0.00  0.00    +0.147 A 
ATOM     20  O   LIG    1        3.123   2.285   0.739  0.00  0.00    -0.462 OA
ATOM     21  C   LIG    1        4.456   2.062   0.916  0.00  0.00    +0.199 A 
ENDROOT
BRANCH  11  22
ATOM     22  O   LIG    1       -3.573   1.590  -1.198  0.00  0.00    -0.382 OA
ATOM     23  H   LIG    1       -4.447   1.321  -1.543  0.00  0.00    +0.211 HD
ENDBRANCH  11  22
BRANCH  10  24
ATOM     24  O   LIG    1       -4.912  -0.954  -1.242  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -5.226  -1.431  -0.453  0.00  0.00    +0.210 HD
ENDBRANCH  10  24
TORSDOF 2